9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

C156H110B4N10O4 — CID 163424147

About 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (PubChem CID 163424147) has the molecular formula C156H110B4N10O4 and a molecular weight of 2231.91 g/mol. Its IUPAC name is 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

Molecular Properties

• Compound Name: 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• PubChem CID: 163424147
• Molecular Formula: C156H110B4N10O4
• Molecular Weight: 2231.91 g/mol
• Exact Mass: 2230.91
• IUPAC Name: 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(c2)Oc2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2cc3c(cc2O4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2)c2ccccc21.c1ccc(N(c2ccccc2)c2cc3c4c(c2)Oc2cc5c(cc2B4c2ccc(N4CCCc6ccccc64)cc2O3)B2c3ccccc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c32)N5c2ccccc2)cc1
• InChI: InChI=1S/C81H57B2N5O2.C75H53B2N5O2/c1-81(2)63-39-21-24-42-69(63)88(70-43-25-22-40-64(70)81)60-45-46-66-75(49-60)89-77-50-62(85(56-31-13-5-14-32-56)57-33-15-6-16-34-57)51-78-80(77)83(66)68-52-67-72(53-76(68)90-78)87(59-37-19-8-20-38-59)74-48-61(84(54-27-9-3-10-28-54)55-29-11-4-12-30-55)47-73-79(74)82(67)65-41-23-26-44-71(65)86(73)58-35-17-7-18-36-58;1-7-26-52(27-8-1)79(53-28-9-2-10-29-53)59-44-68-74-69(45-59)82(57-36-17-6-18-37-57)67-50-71-64(49-63(67)76(74)61-38-20-22-40-66(61)81(68)56-34-15-5-16-35-56)77-62-42-41-58(78-43-23-25-51-24-19-21-39-65(51)78)46-70(62)83-72-47-60(48-73(84-71)75(72)77)80(54-30-11-3-12-31-54)55-32-13-4-14-33-55/h3-53H,1-2H3;1-22,24,26-42,44-50H,23,25,43H2
• InChIKey: ALAMUWZWSYSJEM-UHFFFAOYSA-N
• XLogP: 33.07
• TPSA: 69.32 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2231.91
LogP ≤ 5	33.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The IUPAC name of 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (CID 163424147) is 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

What is the SMILES notation for 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The canonical SMILES for 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is CC1(C)c2ccccc2N(c2ccc3c(c2)Oc2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2cc3c(cc2O4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2)c2ccccc21.c1ccc(N(c2ccccc2)c2cc3c4c(c2)Oc2cc5c(cc2B4c2ccc(N4CCCc6ccccc64)cc2O3)B2c3ccccc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c32)N5c2ccccc2)cc1.

What is the InChIKey of 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The InChIKey is ALAMUWZWSYSJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H57B2N5O2.C75H53B2N5O2/c1-81(2)63-39-21-24-42-69(63)88(70-43-25-22-40-64(70)81)60-45-46-66-75(49-60)89-77-50-62(85(56-31-13-5-14-32-56)57-33-15-6-16-34-57)51-78-80(77)83(66)68-52-67-72(53-76(68)90-78)87(59-37-19-8-20-38-59)74-48-61(84(54-27-9-3-10-28-54)55-29-11-4-12-30-55)47-73-79(74)82(67)65-41-23-26-44-71(65)86(73)58-35-17-7-18-36-58;1-7-26-52(27-8-1)79(53-28-9-2-10-29-53)59-44-68-74-69(45-59)82(57-36-17-6-18-37-57)67-50-71-64(49-63(67)76(74)61-38-20-22-40-66(61)81(68)56-34-15-5-16-35-56)77-62-42-41-58(78-43-23-25-51-24-19-21-39-65(51)78)46-70(62)83-72-47-60(48-73(84-71)75(72)77)80(54-30-11-3-12-31-54)55-32-13-4-14-33-55/h3-53H,1-2H3;1-22,24,26-42,44-50H,23,25,43H2.

What are the key properties of 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine has a molecular weight of 2231.91 g/mol, XLogP of 33.07, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,22,28-hexakis-phenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is sourced from PubChem (CID 163424147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).